LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
units	    lj
atom_style  charge

read_data data.cloud_wall
  orthogonal box = (0 0 0) to (10 10 10)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  300 atoms

velocity	all set 0.0 0.0 0.0 mom no

pair_style	zero 1.0
pair_coeff	* *

neighbor	1.0 bin
neigh_modify	delay 0

fix     1 all nve


#pair_style      coul/long 3.0
#pair_coeff      * *
#kspace_style    pppm 1.0e-3

kspace_style scafacos fmm 1.0e-3
kspace_modify scafacos tolerance energy_rel
kspace_modify scafacos fmm_tuning 1
ScaFaCoS setting fmm inhomogen tuning ...

timestep	0.005

thermo_style custom step atoms cpu temp pe ke etotal ecoul press

run_style verlet

#dump simple all custom 1000 id x y z vx vy vz
#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
#dump_modify dmpvtk pad 7

thermo 10
run	100
Setting up ScaFaCoS with solver fmm ...
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
       0      300            0            0   0.49646402            0   0.49646402            0  0.016548801 
      10      300  0.025602102  0.015455672   0.47336221  0.023106229   0.49646844            0  0.020399986 
      20      300  0.051156282  0.062291145   0.40334518  0.093125262   0.49647044            0  0.032069892 
      30      300  0.076699495   0.14310262   0.28254543   0.21393842   0.49648385            0  0.052205865 
      40      300   0.10232902   0.52932294  0.089676201   0.79133779   0.88101399            0   0.16125676 
      50      300   0.12800455    1.1962334 -0.082794531     1.788369    1.7055744            0   0.35491397 
      60      300    0.1537931    1.3927481  -0.37659486    2.0821585    1.7055636            0   0.40387853 
      70      300   0.17947531    1.7068337  -0.84572368    2.5517165    1.7059928            0    0.4821525 
      80      300   0.20517826    15.509932    -3.369527    23.187348    19.817821            0    4.5251521 
      90      300   0.23049045     42.26862   -2.0785273    63.191586    61.113059            0    12.569033 
     100      300   0.25625205    41.459415  -0.88546313    61.981825    61.096362            0     12.36685 
Loop time of 0.256263 on 1 procs for 100 steps with 300 atoms

Performance: 168576.488 tau/day, 390.223 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.7895e-05 | 2.7895e-05 | 2.7895e-05 |   0.0 |  0.01
Kspace  | 0.25335    | 0.25335    | 0.25335    |   0.0 | 98.86
Neigh   | 0.0020251  | 0.0020251  | 0.0020251  |   0.0 |  0.79
Comm    | 0.00027776 | 0.00027776 | 0.00027776 |   0.0 |  0.11
Output  | 0.00014305 | 0.00014305 | 0.00014305 |   0.0 |  0.06
Modify  | 0.0002346  | 0.0002346  | 0.0002346  |   0.0 |  0.09
Other   |            | 0.0002046  |            |       |  0.08

Nlocal:    300 ave 300 max 300 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    374 ave 374 max 374 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2461 ave 2461 max 2461 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2461
Ave neighs/atom = 8.20333
Neighbor list builds = 15
Dangerous builds = 0
Total wall time: 0:00:00
